SCHEMBL351950

SCHEMBL351950

NC(=O)C(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.48
SRC P12931 1/20 0.48
ALOX5 P09917 1/20 0.47
LDHA P00338 1/20 0.44
EPHX1 P07099 3/20 0.44
HTR2A P28223 1/20 0.41
CNR1 P21554 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR2 P34972 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27986 0.89 SRC (0.61) KMT2AMEN1CYP1A2SRCALOX5
SCHEMBL29389002 0.89 ALOX5 (0.52) KMT2AMEN1CYP1A2ALOX5EPHX1
SCHEMBL29142063 0.81 CYP1A2 (0.57) KMT2AMEN1CYP1A2SRCALOX5
SCHEMBL8126795 0.80 SRC (0.50) KMT2ASRC
SCHEMBL1581315 0.79 SRC (0.76) CYP1A2SRCALOX5EPHX1SMN1; SMN2
SCHEMBL11212242 0.78 LMNA (0.50) SRCALOX5CNR1SMN1; SMN2CES2
SCHEMBL351424 0.78 CYP2C9 (0.49) KMT2AMEN1CYP1A2SRCCYP2C19
SCHEMBL351263 0.78 SRC (0.48) SRCEPHX1CES2CES1
SCHEMBL11217394 0.78 SRC (0.48) SRCEPHX1SMN1; SMN2
SCHEMBL1657158 0.77 SRC (0.58) CYP1A2SRCCYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 KMT2A 1523/4885MEN1 186/4885CYP1A2 4607/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.